Information card for entry 7042314

Structure parameters

• Formula: C46 H59 Au B2 Cl N12 O5 P W2
• Calculated formula: C46 H59 Au B2 Cl N12 O5 P W2
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(#C[P]([Au]Cl)(C#[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C#[O])C#[O])c1ccccc1)(C#[O])C#[O].O(CC)CC
• Title of publication: Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.
• Authors of publication: Colebatch, Annie L.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4355 - 4365
• a: 12.5001 ± 0.0013 Å
• b: 14.7647 ± 0.0014 Å
• c: 17.4599 ± 0.001 Å
• α: 66.723 ± 0.007°
• β: 69.805 ± 0.007°
• γ: 73.373 ± 0.009°
• Cell volume: 2735.9 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections: 0.1747
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No